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rwst avatar rwst commented on July 18, 2024

reason is: on the first atom change the mass number is set from getMajorIsotope() but with the second change we assume the mass number set and try to get that new isotope. so, if we key C followed by H it tries to find a 12H isotope which does not exist, of course.

the second bug is that non-existing isotopes should give an error message, not an exception.

from jchempaint.

rwst avatar rwst commented on July 18, 2024

crash is fixed, leaving the better error handling as enhancement

from jchempaint.

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